UCSF

ZINC21175825

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 9.46 -11.74 0 5 0 40 379.504 7
Mid Mid (pH 6-8) 4.03 9.86 -32.91 1 5 1 41 380.512 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )